4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one

C22H24N4O2 — CID 87263678

IUPAC4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one
SMILESO=C1NNc2c3cc(CNCCN4CCOCC4)ccc3cc3cccc1c23
InChIInChI=1S/C22H24N4O2/c27-22-18-3-1-2-17-13-16-5-4-15(12-19(16)21(20(17)18)24-25-22)14-23-6-7-26-8-10-28-11-9-26/h1-5,12-13,23-24H,6-11,14H2,(H,25,27)
InChIKeyIQDWXMRWLPFSED-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.49
Rot. Bonds5

About 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one

4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one (PubChem CID 87263678) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one.

Molecular Properties

Compound Name4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one
PubChem CID87263678
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one
SMILESO=C1NNc2c3cc(CNCCN4CCOCC4)ccc3cc3cccc1c23
InChIInChI=1S/C22H24N4O2/c27-22-18-3-1-2-17-13-16-5-4-15(12-19(16)21(20(17)18)24-25-22)14-23-6-7-26-8-10-28-11-9-26/h1-5,12-13,23-24H,6-11,14H2,(H,25,27)
InChIKeyIQDWXMRWLPFSED-UHFFFAOYSA-N
XLogP2.49
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one?
The IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one (CID 87263678) is 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one.
What is the SMILES notation for 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one?
The canonical SMILES for 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one is O=C1NNc2c3cc(CNCCN4CCOCC4)ccc3cc3cccc1c23.
What is the InChIKey of 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one?
The InChIKey is IQDWXMRWLPFSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22-18-3-1-2-17-13-16-5-4-15(12-19(16)21(20(17)18)24-25-22)14-23-6-7-26-8-10-28-11-9-26/h1-5,12-13,23-24H,6-11,14H2,(H,25,27).
What are the key properties of 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one?
4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one has a molecular weight of 376.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-ylethylamino)methyl]-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-14-one is sourced from PubChem (CID 87263678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).